SCHEMBL6430903

SCHEMBL6430903

COC(=O)c1ccc(Sc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
PYGL P06737 2/20 0.50
PYGM P11217 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SETD7 Q8WTS6 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6431653 0.87 PYGL (0.63) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL6430907 0.86 PYGL (0.54) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL4094329 0.82 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7122268 0.81 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL7118343 0.80 ABCG2 (0.54) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL6431792 0.79 PYGL (0.78) MEN1KMT2AMAPTPYGLPYGM
SCHEMBL7122264 0.78 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL5834186 0.78 KMT2A (0.63) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL7116495 0.78 KMT2A (0.53) MEN1KMT2AMAPTALDH1A1PYGL
SCHEMBL7117003 0.74 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1PYGL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558245-A2 USE OF GLYCOGEN PHOSPHORYLASE INHIBITORS FOR TREATMENT OF CARDIOVASCULAR DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP claimed
US-20050054618-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases RYTVED KLAUS ASGER (DK) 2005-03-10 US claimed
WO-2004037233-A2 USE OF GLYCOGEN PHOSPHORYLASE INHIBITORS FOR TREATMENT OF CARDIOVASCULAR DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO claimed
US-20040082641-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases NOVO NORDISK A/S (DK) 2004-04-29 US claimed
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US claimed
EP-1558245-A2 USE OF GLYCOGEN PHOSPHORYLASE INHIBITORS FOR TREATMENT OF CARDIOVASCULAR DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050054618-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases RYTVED KLAUS ASGER (DK) 2005-03-10 US disclosed
WO-2004037233-A2 USE OF GLYCOGEN PHOSPHORYLASE INHIBITORS FOR TREATMENT OF CARDIOVASCULAR DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
US-20040082641-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases NOVO NORDISK A/S (DK) 2004-04-29 US disclosed
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054618-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases PYGM, GYS1, AGL MEN1 3789/4885KMT2A 3067/4885MAPT 1788/4885
US-20040082641-A1 Use of glycogen phosphorylase inhibitors for treatment of cardiovascular diseases PYGM, GYS1, AGL MEN1 3789/4885KMT2A 3067/4885MAPT 1788/4885
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM MEN1 2301/4885KMT2A 971/4885MAPT 2042/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.